5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid

C7H8N2O3 — CID 16643877

IUPAC5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1[nH]c(=O)nc(C(=O)O)c1C
InChIInChI=1S/C7H8N2O3/c1-3-4(2)8-7(12)9-5(3)6(10)11/h1-2H3,(H,10,11)(H,8,9,12)
InChIKeyZXECTTZQEACQGR-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.08
Rot. Bonds1

About 5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid

5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 16643877) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID16643877
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1[nH]c(=O)nc(C(=O)O)c1C
InChIInChI=1S/C7H8N2O3/c1-3-4(2)8-7(12)9-5(3)6(10)11/h1-2H3,(H,10,11)(H,8,9,12)
InChIKeyZXECTTZQEACQGR-UHFFFAOYSA-N
XLogP0.08
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid (CID 16643877) is 5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid is Cc1[nH]c(=O)nc(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is ZXECTTZQEACQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-3-4(2)8-7(12)9-5(3)6(10)11/h1-2H3,(H,10,11)(H,8,9,12).
What are the key properties of 5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 16643877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).